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X-ray crystallographic determination of the structure and conformation of 1,4,4-trimethyltricyclo[5.4.0.03,5]-undec-7-en-9-one and 1,4,4,8-tetramethyltricyclo[5.4.0.03,5]-undec-T-en-9-one

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Abstract

The crystal structure and conformation of 1,4,4-trimethyltricyclo[5.4.0.03,5]undec-7-en-9-one (I) and 1,4,4,8-tetramethyltricyclo[5.4.0.03,5]undec-7-en-9-one (II) have been determined by X-ray diffraction. In both cases the crystals are orthorhombic, P212121,a=6.194 (2) (I); 7.499 (2) (II),b=7.486 (3) (I); 12.855 (3) (II),c=26.283 (7) (I); 13.928 (4) (II) Å,Z=4. The structure was solved by direct methods, and refined to anR value of 0.048 for 1534 (I) and 0.054 for 1357 (II) withI>3.0 σ (I). In both compounds substituted by carbonyl group ring has the distorted3E sofa conformation whereas the second one possesses the slightly deformed7.10B boat conformation.

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Authors and Affiliations

  1. Institute of Organic and Physical Chemistry, Technical University of Wrocław, W. Wyspiańskiego 27, 50-370, Wrocław, Poland

    C. Hebda, J. Szykuła & J. Orpiszewski

  2. Institute of Chemistry, University of Wrocław, Poland

    T. Głowiak

Authors
  1. C. Hebda
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  2. J. Szykuła
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  3. T. Głowiak
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  4. J. Orpiszewski
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Additional information

The nomenclature of IUPAC for the name of compounds in the title is applied. However, for simplicity the numbering of the atoms in the paper follow Fig. 1a and 1b.

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Hebda, C., Szykuła, J., Głowiak, T. et al. X-ray crystallographic determination of the structure and conformation of 1,4,4-trimethyltricyclo[5.4.0.03,5]-undec-7-en-9-one and 1,4,4,8-tetramethyltricyclo[5.4.0.03,5]-undec-T-en-9-one. Journal of Crystallographic and Spectroscopic Research 21, 265–270 (1991). https://doi.org/10.1007/BF01156076

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  • DOI: https://doi.org/10.1007/BF01156076

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